title: Interfacial properties of bilayer and trilayer graphene on metal substrates.
abstract: One popular approach to prepare graphene is to grow them on transition metal substrates via chemical vapor deposition. By using the density functional theory with dispersion correction, we systematically investigate for the first time the interfacial properties of bilayer (BLG) and trilayer graphene (TLG) on metal substrates. Three categories of interfacial structures are revealed. The adsorption of B(T)LG on Al, Ag, Cu, Au, and Pt substrates is a weak physisorption, but a band gap can be opened. The adsorption of B(T)LG on Ti, Ni, and Co substrates is a strong chemisorption, and a stacking-insensitive band gap is opened for the two uncontacted layers of TLG. The adsorption of B(T)LG on Pd substrate is a weaker chemisorption, with a band gap opened for the uncontacted layers. This fundamental study also helps for B(T)LG device study due to inevitable graphene/metal contact.
authors.affiliation: State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R. China.
authors.forename: Jiaxin
authors.initials: J
authors.lastname: Zheng
authors.forename: Yangyang
authors.initials: Y
authors.lastname: Wang
authors.forename: Lu
authors.initials: L
authors.lastname: Wang
authors.forename: Ruge
authors.initials: R
authors.lastname: Quhe
authors.forename: Zeyuan
authors.initials: Z
authors.lastname: Ni
authors.forename: Wai-Ning
authors.initials: WN
authors.lastname: Mei
authors.forename: Zhengxiang
authors.initials: Z
authors.lastname: Gao
authors.forename: Dapeng
authors.initials: D
authors.lastname: Yu
authors.forename: Junjie
authors.initials: J
authors.lastname: Shi
authors.forename: Jing
authors.initials: J
authors.lastname: Lu